1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea

C28H23ClN4OS — CID 23355203

IUPAC1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea
SMILESCCc1ccc2ncc(NC(=O)Nc3c(SC)ccc4ncccc34)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C28H23ClN4OS/c1-3-17-10-11-23-20(15-17)26(18-7-4-5-9-21(18)29)24(16-31-23)32-28(34)33-27-19-8-6-14-30-22(19)12-13-25(27)35-2/h4-16H,3H2,1-2H3,(H2,32,33,34)
InChIKeyMZLFQBLHRDHRFT-UHFFFAOYSA-N
MW499.04 g/mol
LogP8.03
Rot. Bonds5

About 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea

1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea (PubChem CID 23355203) has the molecular formula C28H23ClN4OS and a molecular weight of 499.04 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea
PubChem CID23355203
Molecular FormulaC28H23ClN4OS
Molecular Weight499.04 g/mol
Exact Mass498.13
IUPAC Name1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea
SMILESCCc1ccc2ncc(NC(=O)Nc3c(SC)ccc4ncccc34)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C28H23ClN4OS/c1-3-17-10-11-23-20(15-17)26(18-7-4-5-9-21(18)29)24(16-31-23)32-28(34)33-27-19-8-6-14-30-22(19)12-13-25(27)35-2/h4-16H,3H2,1-2H3,(H2,32,33,34)
InChIKeyMZLFQBLHRDHRFT-UHFFFAOYSA-N
XLogP8.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.04
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-chlorophenyl)-5-methyl-2-oxo-6-propan-2-yl-1H-quinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea
CID 67835380
1-[6-chloro-4-(2-methylphenyl)quinolin-3-yl]-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea
CID 23355176
1-(6-methylsulfanylquinolin-5-yl)-3-(2-naphthalen-1-ylhexyl)urea
CID 19597983
1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
CID 67786930
1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea
CID 19787165
1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-1-[[4-(dimethylamino)phenyl]methyl]-3-(6-methylsulfanylquinolin-5-yl)urea
CID 139703937
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-(6-methylsulfanylquinolin-5-yl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 67850008
1-[6-chloro-4-(2-methylphenyl)quinolin-3-yl]-3-(4-fluoro-3-nitrophenyl)urea
CID 15035149
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
CID 10453084
N-(6-chloro-4-phenylquinolin-3-yl)acetamide
CID 10424681
1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea
CID 15285317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea?
The IUPAC name of 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea (CID 23355203) is 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea?
The canonical SMILES for 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea is CCc1ccc2ncc(NC(=O)Nc3c(SC)ccc4ncccc34)c(-c3ccccc3Cl)c2c1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea?
The InChIKey is MZLFQBLHRDHRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4OS/c1-3-17-10-11-23-20(15-17)26(18-7-4-5-9-21(18)29)24(16-31-23)32-28(34)33-27-19-8-6-14-30-22(19)12-13-25(27)35-2/h4-16H,3H2,1-2H3,(H2,32,33,34).
What are the key properties of 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea?
1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea has a molecular weight of 499.04 g/mol, XLogP of 8.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea is sourced from PubChem (CID 23355203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).